2-Methoxy-6-methylphenol - ≥98% , CAS No.2896-67-5

CAS: 2896-67-5 Cat. No.: M169302 Formule: C₈H₁₀O₂ Poids moléculaire: 138.17 Numéro CE: 608-297-4

GRADE & PURITY ≥98%

Synonyms

6-Methylguaiacol | MFCD00043771 | NSC 7374 | 2-Hydroxy-3-methylanisole | o-Creosol | NSC7374 | NSC-7374 | 6-methoxy-2-methylphenol | UNII-BV9KQQ59VO | Phenol, 2-methoxy-6-methyl- | SY101524 | A919050 | BP-10123 | 2-Methoxy-6-methylphenol | 2-methoxy-6-met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

6-Methylguaiacol | MFCD00043771 | NSC 7374 | 2-Hydroxy-3-methylanisole | o-Creosol | NSC7374 | NSC-7374 | 6-methoxy-2-methylphenol | UNII-BV9KQQ59VO | Phenol, 2-methoxy-6-methyl- | SY101524 | A919050 | BP-10123 | 2-Methoxy-6-methylphenol | 2-methoxy-6-met

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528757429

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757429

Sourires canoniques

CC1=C(C(=CC=C1)OC)O

IUPAC Name

2-methoxy-6-methylphenol

InChIKey

WBHAUHHMPXBZCQ-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-6-4-3-5-7(10-2)8(6)9/h3-5,9H,1-2H3

Isomères SMILES

CC1=C(C(=CC=C1)OC)O

Poids moléculaire

138.17

Reaxy-Rn

2043672

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Ortho cresols Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - O-cresol - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 138.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1